Basic information
- CAS
50508-06-0- Standard SMILES
CCN(CC)C(=O)Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.CCS(=O)(=O)O- InChIKey
QYLUXUKUYQSBGY-UHFFFAOYSA-N- Molecular formula
- C19H32N6O4S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.2205747
Names & identifiers
- Preferred name
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethylacetamide;ethanesulfonic acid
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethylacetamide;ethanesulfonic acid
Names & synonyms
50508-06-0NSC143011DTXSID50964729NSC-143011DS-0007542-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N,N-diethyl-acetamideEthanesulfonic acid--2-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]-N,N-diethylacetamide (1/1)
Database identifiers
- CAS
50508-06-0- PubChem CID
- 285693
- DTXSID
DTXSID50964729
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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